ChemSpider 2D Image | N'-[(1R,2S)-1-[(2R,4S)-4-Benzyl-2-piperidinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide | C36H45F2N3O3

N'-[(1R,2S)-1-[(2R,4S)-4-Benzyl-2-piperidinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide

  • Molecular FormulaC36H45F2N3O3
  • Average mass605.758 Da
  • Monoisotopic mass605.342896 Da
  • ChemSpider ID23323038

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3-Benzenedicarboxamide, N3-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2R,4S)-4-(phenylmethyl)-2-piperidinyl]ethyl]-5-methyl-N1,N1-dipropyl- [ACD/Index Name]
N'-[(1R,2S)-1-[(2R,4S)-4-Benzyl-2-pipéridinyl]-3-(3,5-difluorophényl)-1-hydroxy-2-propanyl]-5-méthyl-N,N-dipropylisophtalamide [French] [ACD/IUPAC Name]
N'-[(1R,2S)-1-[(2R,4S)-4-Benzyl-2-piperidinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide [ACD/IUPAC Name]
N'-[(1R,2S)-1-[(2R,4S)-4-Benzyl-2-piperidinyl]-3-(3,5-difluorphenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamid [German] [ACD/IUPAC Name]
N'-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
N'-[(1s,2r)-2-[(2r,4s)-4-Benzylpiperidin-2-Yl]-1-(3,5-Difluorobenzyl)-2-Hydroxyethyl]-5-Methyl-N,N-Dipropylbenzene-1,3-Dicarboxamide
CHEMBL255194
N1-((1R,2S)-1-((2R,4S)-4-benzylpiperidin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

314 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 750.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 407.5±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 170.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 35.15
ACD/KOC (pH 5.5): 65.39
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 902.93
ACD/KOC (pH 7.4): 1679.88
Polar Surface Area: 82 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 522.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement